Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester
TL;DR: Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester (CAS 7555-16-0) is a chemical compound with molecular formula C16H20O8S2 and molecular weight 404.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-[4-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithietan-2-ylidene]propanedioate
Also Known As: 2-Ethoxy-2-methylbenzo-1,3-dioxolane, NCI60_007549, Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester, TETRAETHYL 2,2'-(1,3-DITHIETANE-2,4-DIYLIDENE)DIMALONATE, diethyl 2-[4-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithietan-2-ylidene]propanedioate
| Molecular Formula | C16H20O8S2 |
|---|---|
| Molecular Weight | 404.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 404.05997 |
| Heavy Atoms | 26 |
| Complexity | 543.0 |
Chemical Identifiers
| CAS Number | 7555-16-0 |
|---|---|
| SMILES | CCOC(=O)C(=C1SC(=C(C(=O)OCC)C(=O)OCC)S1)C(=O)OCC |
| InChIKey | CQZLSMCISVQUMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester (CAS 7555-16-0), with molecular formula C16H20O8S2 and molecular weight 404.06 g/mol. IUPAC: diethyl 2-[4-(1,3-diethoxy-1,3-dioxopropan-2-ylidene)-1,3-dithietan-2-ylidene]propanedioate.
Chemical Property Profile of Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester
Property Insights of Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester
The XLogP value of 3.0 indicates that Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 156.0 Ų indicates high polarity, suggesting Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester?
The CAS number of Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester is 7555-16-0.
What is the molecular formula of Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester?
The molecular formula of Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester is C16H20O8S2.
What is the molecular weight of Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester?
The molecular weight of Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester is 404.06 g/mol.
Where can I buy Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester?
You can request a quote for Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, 2,2'-(1,3-dithietane-2,4-diylidene)bis-, tetraethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.